# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 126.68 3.88 10.08 15.60 114.29 157.48 -91.89 129.86 99.94 0.06 0.00 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00 1 T C C 108.85 1.63 10.03 12.91 114.16 -154.18 -98.89 126.88 90.28 9.20 0.53 89.27 1.01 0.82 0.28 0.15 0.00 5.34 3.13 2 I C C 104.05 5.34 7.04 14.20 117.40 -153.45 -98.77 135.11 92.64 6.80 0.55 79.64 12.33 0.77 0.37 0.20 0.00 3.69 3.00 3 T C C 73.28 2.53 10.87 14.64 118.41 -124.80 -79.83 157.45 99.34 0.34 0.32 96.52 2.80 0.14 0.27 0.03 0.00 0.13 0.11 4 P H H 103.44 1.83 10.57 13.52 92.17 -109.90 -58.40 -36.91 13.55 0.06 86.39 2.08 1.44 9.49 76.80 10.11 0.02 0.03 0.03 5 S H H 77.92 1.33 11.76 13.20 92.57 53.52 -65.66 -38.11 11.17 0.05 88.79 1.12 0.86 8.49 77.07 12.39 0.02 0.03 0.02 6 L H H 83.98 3.29 11.43 16.09 92.75 49.48 -67.15 -38.42 5.39 0.04 94.57 1.02 0.58 3.30 82.47 12.58 0.01 0.02 0.01 7 K H H 113.15 2.87 13.22 17.12 92.19 53.22 -64.13 -40.96 1.36 0.01 98.63 0.36 0.16 0.71 97.94 0.83 0.00 0.00 0.00 8 G H H 38.95 2.10 13.47 16.01 92.13 50.21 -64.14 -41.07 1.32 0.00 98.68 0.21 0.10 0.84 98.37 0.47 0.00 0.00 0.00 9 F H H 124.08 1.95 13.91 16.04 92.21 50.02 -65.09 -41.32 0.83 0.00 99.17 0.12 0.06 0.55 98.93 0.35 0.00 0.00 0.00 10 F H H 120.52 2.11 14.28 16.56 92.41 49.53 -64.74 -41.60 0.57 0.00 99.42 0.09 0.04 0.37 99.29 0.22 0.00 0.00 0.00 11 I H H 101.94 1.73 14.98 16.43 92.15 49.09 -64.87 -41.27 0.63 0.00 99.37 0.08 0.04 0.45 99.19 0.25 0.00 0.00 0.00 12 G H H 37.83 2.65 13.75 17.22 92.23 51.33 -64.54 -41.11 1.63 0.00 98.37 0.12 0.07 1.37 98.08 0.35 0.00 0.00 0.00 13 L H H 101.95 1.95 14.74 16.69 92.18 49.53 -65.24 -41.03 2.63 0.00 97.37 0.14 0.13 2.32 97.06 0.35 0.00 0.00 0.00 14 L H H 99.65 1.69 15.67 16.78 92.26 49.21 -64.70 -41.74 1.27 0.00 98.73 0.17 0.11 0.85 98.66 0.21 0.00 0.00 0.00 15 S H H 61.39 2.01 15.38 17.27 91.96 49.99 -64.40 -41.42 0.69 0.00 99.31 0.09 0.04 0.45 99.24 0.18 0.00 0.00 0.00 16 G H H 34.99 3.08 14.07 18.22 91.94 51.13 -63.65 -41.15 0.51 0.00 99.49 0.06 0.02 0.33 99.45 0.13 0.00 0.00 0.00 17 A H H 62.55 2.10 14.96 17.13 92.02 50.79 -64.95 -40.60 0.29 0.00 99.71 0.03 0.01 0.17 99.69 0.09 0.00 0.00 0.00 18 V H H 92.41 1.45 15.71 16.21 92.28 49.57 -65.14 -41.78 0.31 0.00 99.69 0.04 0.01 0.18 99.70 0.06 0.00 0.00 0.00 19 V H H 86.50 2.03 14.78 16.77 92.18 48.83 -64.95 -42.13 0.37 0.00 99.63 0.06 0.02 0.22 99.65 0.05 0.00 0.00 0.00 20 L H H 96.59 2.28 14.22 16.85 92.09 49.60 -64.73 -41.15 0.59 0.00 99.40 0.08 0.03 0.37 99.43 0.08 0.00 0.00 0.00 21 G H H 41.36 1.70 14.59 16.01 92.14 50.37 -64.26 -41.32 1.09 0.01 98.90 0.16 0.07 0.72 98.91 0.14 0.00 0.00 0.00 22 L H H 101.59 1.41 14.94 15.55 92.65 49.20 -65.26 -40.59 1.55 0.02 98.44 0.29 0.11 0.96 98.40 0.22 0.00 0.01 0.00 23 T H H 76.74 2.19 14.06 16.54 92.45 50.22 -65.22 -41.35 1.80 0.02 98.18 0.32 0.13 1.14 98.15 0.24 0.00 0.01 0.01 24 F H H 123.37 1.87 14.24 16.10 92.20 50.36 -65.04 -40.70 1.47 0.01 98.52 0.27 0.12 0.90 98.50 0.19 0.00 0.01 0.00 25 A H H 64.67 1.49 14.72 15.60 91.98 51.19 -64.30 -41.04 0.82 0.01 99.18 0.20 0.07 0.41 99.21 0.11 0.00 0.00 0.00 26 V H H 87.24 1.59 14.43 15.61 91.83 50.22 -64.91 -41.05 0.62 0.01 99.37 0.13 0.04 0.33 99.40 0.09 0.00 0.00 0.00 27 L H H 94.36 2.11 13.64 16.14 91.96 50.57 -64.82 -41.49 0.43 0.01 99.57 0.09 0.03 0.23 99.57 0.08 0.00 0.00 0.00 28 I H H 100.07 1.67 13.90 15.38 91.90 50.18 -64.71 -41.71 0.45 0.00 99.54 0.09 0.03 0.24 99.54 0.10 0.00 0.00 0.00 29 A H H 65.12 1.41 14.14 14.95 92.28 50.22 -64.86 -41.22 0.77 0.01 99.22 0.12 0.05 0.47 99.16 0.19 0.00 0.00 0.00 30 I H H 100.93 1.63 13.14 14.69 92.91 48.48 -65.88 -40.87 1.55 0.01 98.44 0.24 0.12 1.01 98.19 0.43 0.00 0.01 0.00 31 S H H 62.46 2.31 11.65 14.96 93.15 51.91 -66.45 -37.76 5.91 0.02 94.07 0.80 0.45 4.17 93.67 0.89 0.00 0.01 0.01 32 Q H H 124.91 1.38 12.08 13.45 94.23 51.42 -70.14 -32.16 18.21 0.06 81.74 2.18 1.63 13.83 80.40 1.89 0.02 0.02 0.03 33 I H H 119.78 1.53 11.07 12.94 95.25 53.76 -75.10 -28.23 26.08 0.30 73.61 7.24 5.17 14.31 70.47 2.49 0.04 0.13 0.15 34 D H H 99.82 2.39 9.48 13.29 99.68 64.67 -77.41 -8.98 43.07 0.91 56.02 25.83 6.55 10.43 53.17 3.23 0.01 0.48 0.30 35 K H H 153.37 1.37 9.03 11.36 102.82 77.07 -82.60 17.02 48.09 2.55 49.36 30.77 6.63 10.75 44.84 4.60 0.01 1.81 0.59 36 V C H 111.87 1.92 7.50 10.98 107.40 81.86 -89.03 90.55 49.14 6.60 44.26 33.80 7.09 8.42 39.99 4.45 0.04 5.03 1.18 37 Q C C 138.18 1.52 7.53 10.49 110.44 124.70 -91.54 112.94 55.57 8.90 35.53 40.54 6.37 7.99 32.47 4.08 0.03 6.95 1.57 38 R C C 178.94 1.50 6.70 9.76 109.49 -157.28 -90.59 103.38 66.77 5.92 27.31 41.59 9.38 14.76 23.92 4.63 0.03 4.40 1.29 39 S C C 93.52 1.17 7.56 9.88 109.90 87.14 -93.39 107.28 82.51 1.93 15.56 63.39 2.00 16.94 13.05 2.58 0.00 1.40 0.65 40 L C C 127.80 2.40 8.92 12.99 105.87 -144.38 -86.74 53.44 99.94 0.04 0.02 99.86 0.06 0.05 0.01 0.00 0.00 0.02 0.00